Basic information
- CAS
73730-97-9- Standard SMILES
O=C1NC(=O)C(Br)([N+](=O)[O-])C(=O)N1- InChIKey
OLXQBXOLRSTLEZ-UHFFFAOYSA-N- Molecular formula
- C4H2BrN3O5
- Average molar mass
- 251.98 g/mol
- Monoisotopic mass
- 250.91778
Names & identifiers
- Preferred name
- 5-Bromo-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-bromo-5-nitro-1,3-diazinane-2,4,6-trione
- English name
- 5-bromo-6-hydroxy-5-nitro-dihydro-pyrimidine-2,4-dione
- Molecular formula
- C4H2BrN3O5
- Molecular weight
- 251.98
Names & synonyms
73730-97-9DTXSID805087515-Bromo-5-nitropyrimidine-2,4,6(1H,3H,5H)-trioneRefChem:301925DTXCID404595585-bromo-5-nitrobarbituric acid5-BROMO-5-NITRO-1,3-DIAZINANE-2,4,6-TRIONE2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bromo-5-nitro-5-bromo-6-hydroxy-5-nitro-dihydro-pyrimidine-2,4-dione
Database identifiers
- CAS
73730-97-9- PubChem CID
- 12746366
- DTXSID
DTXSID80508751
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Density
- 2.29 · 2.29±0.1 g/cm3(Predicted)
- pka
- 4.85 · 4.85±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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